SCHEMBL10050040

SCHEMBL10050040

C=CCOC(=O)NCCC(C)(C)C(=O)SCCOP(OC1C(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)OC(n2cnc3c(NC(=O)COc4ccccc4)ncnc32)C1OC)N(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.36
▸ ADORA3 P0DMS8 7/20 0.35
▸ ADORA2B P29275 7/20 0.35
▸ ADORA1 P30542 7/20 0.35
▸ DOT1L Q8TEK3 5/20 0.34
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ PRKAB1 Q9Y478 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10049842 0.95 TYMP (0.37) TYMPADORA3ADORA2BADORA1DOT1L
SCHEMBL10049738 0.93 TYMP (0.38) TYMPADORA3ADORA2BADORA1DOT1L
SCHEMBL22787289 0.88 TYMP (0.42) TYMPADORA3ADORA2BADORA1DOT1L
SCHEMBL10049845 0.88 TYMP (0.38) TYMPADORA3ADORA2BADORA1DOT1L
SCHEMBL10049742 0.88 TYMP (0.36) TYMPADORA3ADORA2BADORA1DOT1L
SCHEMBL10049839 0.85 TYMP (0.37) TYMPADORA3ADORA2BADORA1DOT1L
SCHEMBL10049741 0.83 TYMP (0.41) TYMPADORA3ADORA2BADORA1DOT1L
SCHEMBL10049883 0.83 TYMP (0.32) TYMP
SCHEMBL3727493 0.83 TYMP (0.42) TYMPADORA3ADORA2BADORA1DOT1L
SCHEMBL18787574 0.83 TYMP (0.42) TYMPADORA3ADORA2BADORA1DOT1L

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142763-A1 NUCLEIC ACID DELIVERY COMPOSITIONS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142763-A1 NUCLEIC ACID DELIVERY COMPOSITIONS AND METHODS OF USE THEREOF NSUN3, NSUN2, DIS3 TYMP 152/4885ADORA3 986/4885ADORA2B 1500/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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